8-(3-methylsulfonylpropyl)tricyclo[5.2.1.02,6]decan-8-amine

C14H25NO2S — CID 63192159

IUPAC8-(3-methylsulfonylpropyl)tricyclo[5.2.1.02,6]decan-8-amine
SMILESCS(=O)(=O)CCCC1(N)CC2CC1C1CCCC21
InChIInChI=1S/C14H25NO2S/c1-18(16,17)7-3-6-14(15)9-10-8-13(14)12-5-2-4-11(10)12/h10-13H,2-9,15H2,1H3
InChIKeyKURVKGMIBDPDLT-UHFFFAOYSA-N
MW271.43 g/mol
LogP1.96
Rot. Bonds4

About 8-(3-methylsulfonylpropyl)tricyclo[5.2.1.02,6]decan-8-amine

8-(3-methylsulfonylpropyl)tricyclo[5.2.1.02,6]decan-8-amine (PubChem CID 63192159) has the molecular formula C14H25NO2S and a molecular weight of 271.43 g/mol. Its IUPAC name is 8-(3-methylsulfonylpropyl)tricyclo[5.2.1.02,6]decan-8-amine.

Molecular Properties

Compound Name8-(3-methylsulfonylpropyl)tricyclo[5.2.1.02,6]decan-8-amine
PubChem CID63192159
Molecular FormulaC14H25NO2S
Molecular Weight271.43 g/mol
Exact Mass271.16
IUPAC Name8-(3-methylsulfonylpropyl)tricyclo[5.2.1.02,6]decan-8-amine
SMILESCS(=O)(=O)CCCC1(N)CC2CC1C1CCCC21
InChIInChI=1S/C14H25NO2S/c1-18(16,17)7-3-6-14(15)9-10-8-13(14)12-5-2-4-11(10)12/h10-13H,2-9,15H2,1H3
InChIKeyKURVKGMIBDPDLT-UHFFFAOYSA-N
XLogP1.96
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(3-methylsulfonylpropyl)tricyclo[5.2.1.02,6]decan-8-amine?
The IUPAC name of 8-(3-methylsulfonylpropyl)tricyclo[5.2.1.02,6]decan-8-amine (CID 63192159) is 8-(3-methylsulfonylpropyl)tricyclo[5.2.1.02,6]decan-8-amine.
What is the SMILES notation for 8-(3-methylsulfonylpropyl)tricyclo[5.2.1.02,6]decan-8-amine?
The canonical SMILES for 8-(3-methylsulfonylpropyl)tricyclo[5.2.1.02,6]decan-8-amine is CS(=O)(=O)CCCC1(N)CC2CC1C1CCCC21.
What is the InChIKey of 8-(3-methylsulfonylpropyl)tricyclo[5.2.1.02,6]decan-8-amine?
The InChIKey is KURVKGMIBDPDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2S/c1-18(16,17)7-3-6-14(15)9-10-8-13(14)12-5-2-4-11(10)12/h10-13H,2-9,15H2,1H3.
What are the key properties of 8-(3-methylsulfonylpropyl)tricyclo[5.2.1.02,6]decan-8-amine?
8-(3-methylsulfonylpropyl)tricyclo[5.2.1.02,6]decan-8-amine has a molecular weight of 271.43 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-methylsulfonylpropyl)tricyclo[5.2.1.02,6]decan-8-amine is sourced from PubChem (CID 63192159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).